Geometry & MOs

Info

ID:

147216

PubChem CID:

53786870

Reduced:

O2N3C28H37 (1)

Stoich.:

A2B3C28D37 (1)

Weight, g/mol:

687.235393

ΔHf, kcal/mol:

-34.56

Dipole, Da:

1.89

IP(EA), eV:

 -8.4(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-acetyl-N-[2-[2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoylamino]-3H-1,4-benzodiazepin-1-yl]acetyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C2=CC=CC=C21)OC)C=CC(=O)NCCCCCCN3CC=CN=C3

DOS

IR

Vibrations